SCHEMBL5821718

SCHEMBL5821718

CC(C)C(C)(Oc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ ATM Q13315 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PPARG P37231 8/20 0.42
▸ PPARA Q07869 8/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MTNR1A P48039 4/20 0.38
▸ MTNR1B P49286 4/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5822905 0.83 PPARA (0.44) CYP1A2CYP2D6ATML3MBTL1PPARG
SCHEMBL3248391 0.83 PPARG (0.59) CYP1A2L3MBTL1PPARGPPARACYP2C19
SCHEMBL27589060 0.81 KMT2A (0.43) CYP1A2CYP2D6ATML3MBTL1PPARG
Acetic Acid SCHEMBL10738328 0.80 PPARA (0.42) CYP1A2CYP2D6ATML3MBTL1PPARG
SCHEMBL10756296 0.80 POLB (0.41) L3MBTL1PPARGPPARAALDH1A1
SCHEMBL10907465 0.78 PPARG (0.42) CYP1A2CYP2D6ATML3MBTL1PPARG
SCHEMBL28490551 0.77 CTSK (0.44) PPARGPPARA
SCHEMBL4790308 0.76 PPARA (0.39) CYP1A2CYP2D6ATML3MBTL1PPARG
SCHEMBL25442179 0.76 KMT2A (0.45) MEN1MAPTKMT2AALDH1A1
SCHEMBL29114571 0.76 CYP1A2 (0.50) CYP1A2CYP2D6ATML3MBTL1PPARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006058199-A1 METHODS OF MODULATING HIGH-DENSITY LIPOPROTEIN CHOLESTEROL LEVELS AND PHARMACEUTICAL FORMULATIONS FOR THE SAME FAZIX CORPORATION (US) 2006-06-01 — — WO disclosed
US-20060111346-A1 Methods of modulating high-density lipoprotein cholesterol levels and pharmaceutical formulations for the same FAZIX CORPORATION. 2006-05-25 — — US disclosed
US-H349-H Inert solid compositions which become chemically reactive when molten THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1987-10-06 — — US disclosed
EP-0001721-B1 N-CYANO- AND N-ALKYNYL-2-(SUBSTITUTED PHENOXY)BUTYRAMIDES AND THE USE THEREOF AS MILDEWICIDES STAUFFER CHEMICAL COMPANY (US) 1981-09-16 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060111346-A1 Methods of modulating high-density lipoprotein cholesterol levels and pharmaceutical formulations for the same HDLBP, LDLR, CETP CYP1A2 252/4885CYP2D6 398/4885ATM 3318/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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